CID 5270634

Library 2

Structural Information

Molecular Formula
C33H35N5O5
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NC(=N2)C3=CC(=C(C=C3OC)OC)OC)N(CCC4=CC=CC=C4)CC5=CC=CC=C5
InChI
InChI=1S/C33H35N5O5/c1-5-43-33(39)36-29-19-25-30(37-31(34-25)24-18-27(41-3)28(42-4)20-26(24)40-2)32(35-29)38(21-23-14-10-7-11-15-23)17-16-22-12-8-6-9-13-22/h6-15,18-20H,5,16-17,21H2,1-4H3,(H,34,37)(H,35,36,39)
InChIKey
QGWYLXFVPIMLDO-UHFFFAOYSA-N
Compound name
ethyl N-[4-[benzyl(2-phenylethyl)amino]-2-(2,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridin-6-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

248
Patents

581.2638 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.27108 240.8
[M+Na]+ 604.25302 244.6
[M-H]- 580.25652 250.7
[M+NH4]+ 599.29762 241.1
[M+K]+ 620.22696 239.6
[M+H-H2O]+ 564.26106 226.2
[M+HCOO]- 626.26200 259.2
[M+CH3COO]- 640.27765 261.8
[M+Na-2H]- 602.23847 240.7
[M]+ 581.26325 248.4
[M]- 581.26435 248.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.